6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid

C15H15FN2O2 — CID 106904017

IUPAC6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C15H15FN2O2/c1-18(9-11-5-7-12(16)8-6-11)10-13-3-2-4-14(17-13)15(19)20/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyPKJPKFSITAWXEE-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.55
Rot. Bonds5

About 6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid

6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904017) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904017
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C15H15FN2O2/c1-18(9-11-5-7-12(16)8-6-11)10-13-3-2-4-14(17-13)15(19)20/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyPKJPKFSITAWXEE-UHFFFAOYSA-N
XLogP2.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 74233804
[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 106905327
6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904193
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904019
6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904043
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106905328
6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904188
1-(4-fluorophenyl)-N-[(6-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine
CID 79243570
6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909075
6-[[[3,5-bis[[bis[(6-carboxy-2-pyridinyl)methyl]amino]methyl]phenyl]methyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 122214816
6-[[2-[2-(4-fluorophenyl)cyclopropyl]-N-methylanilino]methyl]pyridine-2-carboxylic acid
CID 123704705

Frequently Asked Questions

What is the IUPAC name of 6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid (CID 106904017) is 6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid is CN(Cc1ccc(F)cc1)Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is PKJPKFSITAWXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-18(9-11-5-7-12(16)8-6-11)10-13-3-2-4-14(17-13)15(19)20/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid?
6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).